We report a facile synthetic approach of high-quality chromium(III) terephthalate [MIL-101(Cr)] by acetate-assisted method in the absence of toxic HF. Results indicate that the morphology and surface area of the MIL-101(Cr) can be tuned by modifying the molar ratio of acetate/$Cr(NO_3)_3$. The Brunauer-Emmett-Teller (BET) surface area of MIL-101(Cr) synthesized at the optimized condition can exceed 3300 $m^2/g$. It is confirmed that acetate could promote the dissolution of di-carboxylic linker and accelerate the nucleation ratio. So the pure and small size of MIL-101(Cr) with clean pores can be obtained. $CO_2$, $CH_4$ and $N_2$ adsorption isotherms of the samples are studied at 298 K and 313 K. Compared with the traditional method, MIL-101(Cr) synthesized by acetate-assisted method possess enhanced $CO_2$ selective adsorption capacity. At 1.0 bar 298 K, it exhibits 47% enhanced $CO_2$ adsorption capacity. This may be attributed to the high surface area together with clean pores of MIL-101(Cr).

$Ga_2O_3$ one-dimensional (1D) nanostructures were synthesized by using a thermal evaporation technique. The morphology, crystal structure, and sensing properties of the $Ga_2O_3$ nanostructures functionalized with Pt to $NO_2$ gas at room temperature under UV irradiation were examined. The diameters of the 1D nanostructures ranged from a few tens to a few hundreds of nanometers and the lengths ranged up to a few hundreds of micrometers. Pt nanoparticles with diameters of a few tens of nanometers were distributed around a $Ga_2O_3$ nanorod. The responses of the nanorods gas sensors fabricated from multiple networked $Ga_2O_3$ nanorods were improved 3-4 fold at $NO_2$ concentrations ranging from 1 to 5 ppm by Pt functionalization. The Pt-functionalized $Ga_2O_3$ nanorod gas sensors showed a remarkably enhanced response at room temperature under ultraviolet (UV) light illumination. In addition, the mechanisms via which the gas sensing properties of $Ga_2O_3$ nanorods are enhanced by Pt functionalization and UV irradiation are discussed.

We carried out the melt copolymerization reactions of 1,2-bis(diethylamino)tetramethyldisilane with several aryldiols such as, 4,4'-biphenol, 4,4'-isopropylidenediphenol, 9H-fluoren-9,9-dimethanol, and 4,4'-(9-fluorenylidene) bis(2-phenoxyethanol) to afford poly[oxy(arylene)oxy(tetramethyldisilylene)]s containing fluorescent aromatic chromophore groups in the polymer main chain: poly[oxy(4,4'-biphenylene)oxy(tetramethyldisilylene)], poly[oxy{(4,4'-isopropylidene) diphenylene}oxy(tetramethyldisilylene)], poly[oxy(9H-fluorene-9,9-dimethylene) oxy(tetramethyldisilylene)], and poly[oxy{4,4'-(9-fluorenylidene)bis(2-phenoxyethylene)}oxy(tetramethyldisilnylene)]. These prepared materials are soluble in common organic solvents such as $CHCl_3$ and THF. The obtained polymers were characterized by several spectroscopic methods such as $^1H$, $^{13}C$, and $^{29}Si$ NMR. Further, FTIR spectra of all the polymers exhibited characteristic Si-O stretching frequencies at 1014-1087 $cm^{-1}$. These polymeric materials in THF showed strong maximum absorption peaks at 268-281 nm, strong maximum excitation peaks at 263-291 nm, and strong maximum fluorescence emission bands at 314-362 nm due to the presence of tetramethyldisilylene and several arylene chromophores in the polymer main chain. TGA thermograms indicated that most of the polymers were stable up to $200^{\circ}C$ with a weight loss of 3-16% in nitrogen.

A non linear QSAR model was constructed on a series of 57 xanthone and curcuminoide derivatives as ${\alpha}$-glucosidase inhibitors by back-propagation neural network method. The neural network architecture was optimized to obtain a three-layer neural network, composed of five descriptors, nine hidden neurons and one output neuron. A good predictive determination coefficient was obtained (${R^2}_{Pset}$ = 86.7%), the statistical results being better than those obtained with the same data set using a multiple regression analysis (MLR). As in the MLR model, the descriptor MATS7v weighted by Van der Waals volume was found as the most important independent variable on the ${\alpha}$-glucosidase inhibitory.

Anion exchange membranes for a vanadium redox flow battery (VRB) were prepared by pore-filling on a PE substrate with the copolymerization of vinylbenzyl chloride (VBC) and glycidyl methacrylate (GMA). The ion exchange capacity, water uptake and weight gain ratio were increased with a similar tendency up to 65% of GMA content, indicating that the monomer improved the pore-filling degree and membrane properties. The vanadium ion permeability and open-circuit voltage were also investigated. The permeability of the VG65 membrane was only $1.23{\times}10^{-7}\;cm^2\;min^{-1}$ compared to $17.9{\times}10^{-7}\;cm^2\;min^{-1}$ for Nafion 117 and $1.8{\times}10^{-7}\;cm^2\;min^{-1}$ for AMV. Consequently, a VRB single cell using the prepared membrane showed higher energy efficiency (over 80%) of up to 100 cycles compared to the commercial membranes, Nafion 117 (ca. 58%) and AMV (ca. 70%).

The ternary phase $EuZn_xIn_{4-x}$ has been identified as the main product of reactions of Eu, Zn, and In by using the In-flux method and characterized by both powder and single-crystal X-ray diffraction. The structure belongs to the common $BaAl_4$-type (tetragonal space group I4/mmm, Pearson code tI10) with lattice parameters of a = 4.5610(9) ${\AA}$, c = 12.049(3) ${\AA}$ for composition $EuZn_{1.10(12)}In_{2.90}$ and a = 4.5463(3) ${\AA}$, c = 12.028(2) ${\AA}$ for composition $EuZn_{1.18(2)}In_{2.82}$, respectively. In this structure, the Eu atoms are situated at the center of 18-vertex Fedorov polyhedra made of Zn and In atoms, where the 4d site is preferentially occupied by In and the 4e site is occupied by randomly mixed Zn and In atoms. Theoretical investigations using tight-binding linear muffintin orbital (TB-LMTO) method provide rationale for the observed site preferences and suggest potentially wider homogeneity range than the experimentally established for $EuZn_xIn_{4-x}$ ($x{\approx}1.1$).

Neointimal hyperplasia causes vascular access dysfunction in hemodialysis patients with synthetic arteriovenous (AV) grafts. Several studies have reported that paclitaxel- or sirolimus-eluting AV grafts inhibit neointimal hyperplasia and display lower rates of stenosis compared with control grafts. However, there have been few comparative studies of the efficacy of paclitaxel- and sirolimus-eluting grafts. We compared the neointimal hyperplasia of paclitaxel- and sirolimus-eluting grafts. AV grafts were implanted laterally between the common carotid artery and the external jugular vein in 12 female Landrace pigs. The animals were sacrificed six weeks after surgery. The neointimal hyperplasia at the anastomosis sites of the grafts was quantified using the ratio of the intragraft hyperplasia to the graft area (H/G ratio) at the graft-vessel interface. The area of intimal hyperplasia at the venous (paclitaxel 1.06 [0.72-1.56] vs sirolimus 2.40 [1.72-3.0] $mm^2$, P = 0.04) and arterial anastomosis sites (paclitaxel 0.93 [0.57-1.48] vs sirolimus 2.40 [1.72-3.0] $mm^2$, P = 0.04) was significantly different between the two groups. However, the H/G ratios for the venous anastomosis site (paclitaxel 0.25 (0.17-0.38) vs sirolimus 0.38 (0.2-0.66), P = 0.4) and the arterial anastomosis site (paclitaxel 0.19 (0.08-0.39) vs sirolimus 0.41 (0.34-0.50), P = 0.1) did not differ significantly between the groups. In conclusion, there was no significant difference in the inhibition of neointimal hyperplasia by sirolimus- and paclitaxel-eluting AV grafts.

We developed a standoff Raman detection system for explosive molecules (EMs). Our system was composed of reflective telescope with 310 mm diameter lens, 532 nm pulse laser, and Intensified Charge-Coupled Device (ICCD) camera. In order to remove huge background noise coming from ambient light, laser pulses with nanosecond time width were fired to target sample and ICCD was gated to open only during the time when the scattered Raman signal from the sample arrived at ICCD camera. We performed standoff experiments with military EMs by putting the detector at 10, 20 and 30 m away from the source. The standoff results were compared with the confocal Raman results. Based on our standoff experiments, we were able to observe the peaks in the range of 1200 and $1600cm^{-1}$, where vibrational modes of nitro groups were appeared. The wave numbers and shapes of these peaks may serve as good references in detecting and identifying various EMs.

Lumazine protein is a member of the riboflavin synthase superfamily and the intense fluorescence is caused by non-covalently bound to 6,7-dimethyl 8-ribityllumazine. To figure out the binding modes and the structure of the N-terminal domain of lumazine protein, the wild type of protein extending to amino acid 118 (N-LumP 118 Wt) and mutants of N-LumP 118 V41W, S48W, T50W, D64W, and A66W from Photobacterium leiognathi were purified. The biochemical properties of the wild type and mutants of N-LumP 118 proteins were analyzed by absorbance and fluorescence spectroscope. The peak of absorbance and fluorescence of lumazine ligand were shifted to longer wavelength on binding to N-LumPs. The observed absorbance value at 410 nm of lumazine bound to N-LumP 118 proteins indicate that one mole of N-LumP 118 proteins bind to one mole of ligand of lumazine. Fluorescence analysis show that the maximum peak of fluorescence of N-LumP S48W was shifted to the longest wavelength by binding with 6,7-dimethyl 8-ribityllumazine and was shown to the greatest quench effect by acrylamide among all tryptophan mutants.

Intergrowth perovskite type complex oxides $La_{0.8}Ln_{0.2}Sr_2MnCrO_{7-{\delta}}$ (Ln=La, Nd, Gd, and Dy) have been synthesized by sol-gel method. Rietveld profile analysis shows that the phases crystallize with tetragonal unit cell in the space group I4/mmm. The unit cell parameters a and c decrease with decreasing effective ionic radius of the lanthanide ion. The magnetic studies suggest that the ferromagnetic interactions are dominant due to $Mn^{3+}$-O-$Mn^{4+}$ and $Mn^{3+}$-O-$Cr^{3+}$ double exchange interactions. Both Weiss constant (${\theta}$) and Curie temperature ($T_C$) increase with decreasing ionic radius of lanthanide ion. It was found that the transport mechanism is dominated by Mott's variable range hopping (VRH) model with an increase of Mott localization energy.

A rapid and sensitive method for determining usnic acid of Lethariella cladonioides in rat was established using high performance liquid chromatography (HPLC) quadrupole time-of-flight (QTOF) tandem mass (MS/MS). Rat plasma was pretreated by mixture of acetonitrile and chloroform to precipitate plasma proteins. Chromatographic separation was achieved on a column ($50{\times}2.1$ mm, $5{\mu}m$) with a mobile phase consisting of water (containing $5{\times}10^{-3}$ M ammonium formate, pH was adjusted to 3.0 with formic acid) and acetonitrile (20:80, v/v) at a flow rate of 0.3 mL/min. A tandem mass spectrometric detection with an electrospray ionization (ESI) interface was conducted via collision induced dissociation (CID) under negative ionization mode. The MS/MS transitions monitored were m/z 343.0448 ${\rightarrow}$ m/z 313.2017 for usnic acid and m/z 153.1024 ${\rightarrow}$ m/z 136.2136 for protocatechuic acid (internal standard). The linear range was calculated to be 2.0-160.0 ng/mL with a detection limit of 3.0 pg/mL. The inter- and intra-day accuracy and precision were within ${\pm}7.0%$. Pharmacokinetic study showed that the apartment of usnic acid in vivo confirmed to be a two compartment open model. The method was fully valid and will probably be an alternative for pharmacokinetic study of usnic acid.

Food is a common source of chromium (Cr) exposure. However, it is difficult to analyze Cr in complex food matrices by using inductively coupled plasma mass spectrometry (ICP-MS) because the major isotope, $^{52}Cr$, is masked by interference generated by the sample matrix and the plasma gas. Among the systems available to minimize interference, the recently developed collision-reaction interface (CRI) has a different structure relative to that of other systems (e.g., collision cell technology, octopole reaction system, and dynamic reaction cell) that were designed as a chamber between the skimmer cone and quadrupole. The CRI system introduces collision or reaction gas directly into the plasma region through a modified hole of skimmer cone. We evaluated the use of an CRI ICP-MS system to minimize polyatomic interference of $^{52}Cr$ and $^{53}Cr$ in various foodstuffs. The $^{52}Cr$ concentrations measured in the standard mode were 2-3 times higher than the certified values. This analytical method based on an ICP-MS system equipped with a CRI of helium gas was effective for Cr analysis in complex food matrices.

This study develops a novel method to remove the free cations created during the synthesis of ionic liquid. The cations are removed from the ionic liquid by size-selective adsorption onto chemically surface-modified Zeolite. The porous crystal nano-structure of Zeolite has several electron-rich Al sites to attract cations. While large cations of an ionic liquid cannot access the Zeolite nano-structure, small cations like $Na^+$ have ready access and are adsorbed. This study confirms that: $Na^+$ can be removed from ionic liquid effectively using Zeolite; and, in contrast to the conventional and extensively applied ion exchange resin method or solvent extraction methods, this can be done without changing the nature of the ionic liquid.

Glucose is a common medical analyte measuring in human serum or blood samples. The development of a primary method is necessary for the establishment of traceability in measurements. We have developed an isotope dilution liquid chromatography tandem mass spectrometry as a primary method for the measurement of glucose in human serum. Glucose and glucose-$^{13}C_6$ in sample were ionized in ESI negative mode and monitored at mass transfers of m/z 179/89 and 185/92 in MRM, respectively. Glucose was separated on $NH_2P$-50 2D column, and the mobile phase was 20 mM $NH_4OAc$ in 30% acetonitrile/70% water. Verification of this method was performed by the comparison with NIST SRMs. Our results agreed well with the SRM values. We have developed two levels of glucose serum certified reference material using this method and distributed them to the clinical laboratories in Korea as samples for proficiency testings. The expended uncertainty was about 1.2% on 95% confidence level. In proficiency testings, the results obtained from the clinical laboratories showed about 3.6% and 3.9% RSD to the certified values. Primary method can provide the traceability to the field laboratories through proficiency testings or certified reference materials.

A fast and simple sampling and sample preparation device, (NTD) has been developed and applied to sample and analyze volatile components from ground coffee beans. Coffee fragrances and other volatile organic compounds (VOCs) were sampled by the NTD and then analyzed by gas chromatograph-mass spectrometry (GC/MS). Divinylbenzene (DVB) particles (80/100 mesh size) were the sorbent bed of the NTD. More than 150 volatile components were first identified based on the database of the mass library and then finally 30 fragrances including caffeine were further confirmed by comparing experimental retention indices (i.e. Kovat index) with literature retention indices. Total sampling time was 10 minutes and no extra solvent extraction and/or reconstitution step need. Straight n-alkanes (C6-C20) were used as retention index probes for the calculation of experimental retention indices. In addition, this report suggests that an empty needle can be an alternative platform for analyzing polymers by pyrolysis-GC/MS.

Polyhexamethylene guanidine (PHMG) polymers used as an active ingredient in an antibacterial humidifier disinfectant were reported to cause harm to the human health when inhaled, although physical contact with this material was known to present low toxicity to humans. It is therefore necessary to develop an optimal analysis method which enables detection and analysis of PHMG polymers. MALDI-TOF investigations of PHMG are performed with a variety of matrices, and it is found that CHCA and 2,5-DHB are excellent matrices which well reflects the polymer population even at high mass. For the provided PHMG sample, the number-average ($M_n$) and weight-average ($M_w$) molecular masses were determined to be 744.8 and 810.7, respectively, when the CHCA was used as a matrix. The rank of the matrices in terms of averaged molecular weight was CHCA ~2,5-DHB > 5-NSA > DHAP, THAP > ATT > IAA ~ super-DHB ~ HABA. In addition, PSD of the PHMG oligomer ions exhibited a few unique fragmenation characteristics. The formation of a- and c-type fragments was the major fragmentation pathway, and the 25-Da loss peaks generally accompanied a- and c-type fragments.

Magnetic properties of magnetite ferrofluid are studied by measuring magnetic weights under different magnetic fields with a conventional electronic balance. Magnetite nanoparticles of 11 nm diameter are synthesized to make the ferrofluid. Magnetization calculated from the magnetic weight reveals the hysteresis and deviates from the Langevin function at high magnetic fields. Magnetic weight shifts instantaneously with magnetic field change by Neel and Brown mechanism. When high magnetic field is applied to the sample, slower change of magnetic weight is accompanied with the instantaneous shift via agglomeration of nanoparticles. The slow change of the magnetic weight shows the stretched exponential kinetics. The temporal change of the magnetic weight and the magnetization of the ferrofluid at high magnetic fields suggest that the superparamagnetic sample turns into superspin glass by strong magnetic interparticle interactions.

A kinetic study on nucleophilic substitution reactions of phenyl Y-substituted-phenyl carbonates (5a-5j) with ethylamine in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$ is reported. The plots of $k_{obsd}$ vs. [amine] are linear for the reactions of substrates possessing a strong electron-withdrawing group (EWG) but curve upward for those of substrates bearing a weak EWG, indicating that the electronic nature of the substituent Y in the leaving group governs the reaction mechanism. The reactions have been concluded to proceed through a stepwise mechanism with one or two intermediates (a zwitterionic tetrahedral intermediate $T^{\pm}$ and its deprotonated form $T^-$) depending on the nature of the substituent Y. Analysis of Bronsted-type plots and dissection of $k_{obsd}$ into microscopic rate constants have revealed that the reactions of substrates possessing a strong EWG (e.g., 5a-5f) proceed through $T^{\pm}$ with its formation being the rate-determining step, while those of substrates bearing a weak EWG (e.g., 5g-5j) proceed through $T^{\pm}$ and $T^-$.

Synthesis and characterization of some novel symmetric bis-azospiropyrans are reported in this study. These bis-azospiropyrans are bifunctional chromophores with two spiropyrans linked by a bis-azo extended aromatic system that produce more color strength (large molar absorption coefficient in mero forms) due to appending two azospiropyran chromophores on one molecule. Comparing to the molar absorption coefficients of the conventional spiropyran chromophores (${\varepsilon}=0.31{\times}10^4\;M^{-1}{\cdot}cm^{-1}$) and mono-azospiropyran chromophores ($1.35{\times}10^4\;M^{-1}{\cdot}cm^{-1}$), the novel synthesized photochromes showed astonishingly increased molar absorption coefficients ($2.3-3.8{\times}10^4\;M^{-1}{\cdot}cm^{-1}$) at the same conditions. Such high molar absorption coefficients confers high sensitivity to light and more color intensity of mero form, that leads to improvement of their light sensitivity and better discrimination of spiro (OFF) form from mero (ON) ones in molecular switches. The structures were deduced from their MS, FT-IR, and $^1H$-NMR spectroscopic data and CHN analysis. All the synthesized photochemically bifunctional compounds revealed fluorescent emission in their colorless form which was faded out after exposing to UV light. Fluorescence quantum yield values of the mero forms were 0.25-0.81 and two high fluorescence quantum yield values (0.60 and 0.81) were found in these series.

Rhodium(II)-catalyzed reactions of cyclic diazo compounds derived from barbituric acid and thiobarbituric acid with a variety of styrene moieties were examined. These reactions provide rapid synthetic routes to the preparations of spirobarbiturates and spirothiobarbiturates bearing cyclopropane rings.

A new polymeric catalyst was prepared by supporting $GaCl_3$ on cross-linked polyvinylpyrrolidone ($GaCl_3$/PVP). This catalyst was employed for efficient and regioselective ring-opening reaction of epoxides by various alcohols under solvent-free conditions at room temperature. In our procedure, this heterogeneous catalyst was used at neutral and mild reaction conditions to afford high yields of ${\beta}$-alkoxy alcohols. Also, regioselective conversion of epoxides to ${\beta}$-azidohydrines was accomplished by sodium azide in MeOH in the presence of $GaCl_3$/PVP at room temperature. $GaCl_3$/PVP is a non-hygroscopic and recoverable catalyst and is easily separated from reaction mixture by a simple filtration and re-used repeatedly. Also, this catalyst has good handling and can be stored for long time without any reducing of its reactivity.

A novel green aqueous mobile phase modified with room temperature ionic liquids (RTILs) was employed in the absence of volatile organic solvents or ion-pairing reagents to analyze thiamine, a very polar compound, by reverse phase high performance liquid chromatography (RP-HPLC). Due to its strongly hydrophilic nature, thiamine was eluted near the column dead time ($t_0$) using a mobile phase without adding RTILs or ion-pairing reagents, even if a 100% aqueous mobile phase, which has weak elution power under reverse phase conditions, was used. Thus, 1-ethyl-3-methyl-imidazolium hexafluorophosphate ([EMIM][$PF_6$]), which has the strongest chaotropic effect, was selected as a mobile phase additive to improve retention and avoid baseline disturbances at $t_0$. Various mobile phase parameters such as cation moiety, chaotropic anion moiety, pH and concentration of RTILs were optimized to determine thiamine at the proper retention time. Method validation was performed to assess linearity, intra- and inter-day accuracy and precision, recovery and repeatability; all results were found to be satisfactory. The developed method was also compared to the current official United States Pharmacopoeia (USP) and Korean Pharmacopoeia (KP) methods using an organic mobile phase containing an ionpairing reagent by means of evaluating various chromatographic parameters such as the capacity factor, theoretical plate number, peak asymmetry and tailing factor. The results indicated that the proposed method exhibited better efficiency of thiamine analysis than the official methods, and it was successfully applied to quantify thiamine in pharmaceutical preparations.

3,4-Dihydropyrimidin-2(1H)-ones were efficiently converted into the corresponding pyrimidin-2(1H)-ones in high yields within a short period of time on treatment with aqueous acetonitrile using 1,4-bis(triphenylphosphonium)-2-butene peroxodisulfate. Chemoselective oxidation of 3,4-dihydropyrimidin in the presence of other oxidizable functional groups was also achieved by this reagent.

A graphene-Zn/Al layered double hydroxide composite film was simultaneously prepared by electrochemical deposition on the surface of a glassy carbon electrode (G-LDH/GCE) from the mixture solution containing GO and nitrate salts of $Zn^{2+}$ and $Al^{3+}$. The modified electrode showed good electrochemical performances toward the simultaneous electrochemical detection of hydroquinone (HQ), catechol (CA) and resorcinol (RE) due to the unique properties of graphene (G) and LDH such as large active surface area, facile electronic transport and high electrocatalytic activity. The redox characteristics of G-LDH/GCE were investigated with cyclic voltammetry and differential pulse voltammetry. The well-separated oxidation peak potentials, corresponding to the oxidation of HQ, CA and RE, were observed at 0.126 V, 0.228 V and 0.620 V respectively. The amperometric response of the modified electrode exhibited that HQ can be detected without interference of CA and RE. Under the optimized conditions, the oxidation peak current of HQ is linear with the concentration of HQ from 6.0 ${\mu}M$ to 325.0 ${\mu}M$ with the detection limit of 0.077 ${\mu}M$ (S/N=3). The modified electrode was successfully applied to the direct determination of HQ in a local tap water, showing reliable recovery data.

A series of the block copolymers were successfully synthesized from post-sulfonated hydrophilic and hydrophobic macromers via three-step copolymerization. The degrees of sulfonation (DS) of the copolymers (10%, 30%, or 50%) were controlled by changing the molar ratio of the hydrophilic and hydrophobic parts. The resulting block copolymers were characterized by $^1H$ NMR and other technologies. The membranes were successfully cast using dimethyl sulfoxide (DMSO) solution at $100^{\circ}C$. The copolymers were characterized to confirm chemical structure by $^1H$ NMR and FT-IR. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) demonstrated that all sulfonated block copolymers exhibited good thermal stability with an initial weight loss at temperatures above $240^{\circ}C$. The membranes showed acceptable ion exchange capacity (IEC) and water uptake values in accordance with DS. The maximum proton conductivity was 184 mS $cm^{-1}$ in block copolymer-50 at $60^{\circ}C$ and 100% relative humidity, while the conductivity of Nifion-115 was 160 mS $cm^{-1}$ under the same measurement conditions. AFM images of the block copolymer membranes showed well separated the hydrophilic and hydrophobic domains. From the observed results it is that the prepared block membranes can be considered as suitable polymer electrolyte membranes for the application of polymer electrolyte membrane fuel cells (PEMFC).

For the excited states of a hydrogen molecule up to n = 3 active spaces, potential energy curves (PECs) are obtained for values of the internuclear distance R in the interval [0.5, 10] a.u. within an accuracy of $1{\times}10^{-4}$ a.u. (Hartree) compared to the accurate PECs of Kolos, Wolniewicz, and their collaborators by using the multi-reference configuration-interaction method and Kaufmann's Rydberg basis functions. It is found that the accuracy of the PECs can be further improved beyond $1{\times}10^{-4}$ a.u. for that R interval by including the Rydberg basis functions with angular momentum quantum numbers higher than l = 4.

N-type ZnO nanorods were grown on p-type porous silicon using a chemical bath deposition (CBD) method (p-n diode). The structure and geometry of the device were examined by field-emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD) while the optoelectronic properties were investigated by UV/Vis absorption spectrometry as well as photoluminescence and electroluminescence measurements. The field emission (FE) properties of the device were also measured and its turn-on field and current at 6 $V/{\mu}m$ were determined. In principle, the growth of ZnO nanorods on porous siicon for optoelectronic applications is possible.

A simultaneous analytical method has been developed for the fluorimetric determination of haloacetonitriles (HANs) [dichloroacetonitrile (DCAN), trichloroacetonitrile (TCAN), dibromoacetonitrile (DBAN), haloacetamides [dichloroacetamide (DCAD), and trichloroacetamde (TCAD)] in drinking water by using the combined on-line perconcentration/reversed phase liquid chromatography (RPLC)-postcolumn detection system. This on-line perconcentration system was achieved by employing a precolumn packed with a commercial solid phase extraction (SPE) sorbent for the enrichment and purification of the target analytes. The haloacetonitriles and haloacetamides were separated on CN analytical column in a 7.5% methanol-0.02 M phosphate buffered mobile phase at pH 3. The column effluents were reacted with postcolumn reagents of ophthaldialdehyde (OPA) and sulfite ion at pH 11.5, to produce a highly fluorescent isoindole fluorophore, which were measured with a fluorescence detector. Under the optimized conditions for RPLC and the postcolumn derivatization system all of the coefficient of determination of the standard calibration curves for the target analytes were over 0.99 and had a linear range from 5 to 100 ${\mu}g/L$. The detection limits showed 1.6 ${\mu}g/L$ for DCAD, 0.1 ${\mu}g/L$ for TCAD, 0.6 ${\mu}g/L$ for DCAN, 1.6 ${\mu}g/L$ for TCAN and 1 ${\mu}g/L$ for DBAN, and the recoveries were ranged from 64 to 99% except for DCAD with precisions less than 4.9% in distilled water, and from 72(${\pm}4%$) to 116%(${\pm}2%$) in tap water.

Phytochemical investigation on dragon's blood of Dracaena cambodiana led to the discovery of two new flavonoid derivatives, cambodianin G (1) and cambodianin H (2). Their structures were elucidated on the basis of detailed spectroscopic analysis, including 1D and 2D NMR techniques and chemical methods. The two compounds were observed to exhibit antibacterial activities against Staphylococcus aureus, and compound 1 showed cytotoxicities against K562 and SGC-7901 cell lines.

The corrosion property of aluminum by lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt is investigated in liquid and gel electrolytes consisting of ethylene carbonate/propylene carbonate/ethylmethyl carbonate/diethyl carbonate (20:5:55:20, vol %) with vinylene carbonate (2 wt %) and fluoroethylene carbonate (5 wt %) using conductivity measurement, cyclic voltammetry, scanning electron microscopy, and energy dispersive X-ray spectroscopy. All corrosion behaviors are attenuated remarkably by using three gel electrolytes containing 3 wt % of hydrophilic and hydrophobic fumed silica. The addition of silica particles contributes to the increase in the ionic conductivity of the electrolyte, indicating temporarily formed physical crosslinking among the silica particles to produce a gel state. Cyclic voltammetry also gives lower anodic current responses at higher potentials for repeating cycles, confirming further corrosion attenuation or electrochemical stability. In addition, the degree of corrosion attenuation can be affected mainly by the electrolytic constituents, not by the hydrophilicity or hydrophobicity of silica particles.

Dual-responsive amphiphilic block copolymers were synthesized by combining enzymatic ring-opening polymerization (eROP) of ${\varepsilon}$-caprolactone (CL) and ATRP of N,N-dimethylamino-2-ethyl methacrylate (DMAEMA). The obtained block copolymers were characterized by gel permeation chromatography (GPC), $^1H$ NMR and FTIR-IR. The critical micelle concentration (CMC) of copolymer was determined by fluorescence spectra, it can be found that with hydrophilic block (PDMAEMA) increasing, CMC value of the polymer sample increased accordingly, and the CMC value was 0.012 mg/mL, 0.025 mg/mL and 0.037 mg/mL for $PCL_{50}$-b-$PDMAEMA_{68}$, $PCL_{50}$-b-$PDMAEMA_{89}$, $PCL_{50}$-b-$PDMAEMA_{112}$, $PCL_{50}$-b-$PDMAEMA_{89}$ was chosen as drug carrier to study in vitro release profile of anti-cancer drug (taxol). The temperature and pH dependence of the values of hydrodynamic diameter (Dh) of micelles, and self-assembly of the resulting block copolymers in water were evaluated by dynamic light scattering (DLS). The result showed that with the temperature increasing and pH decreasing, the Dh decreased. Drug-loaded nanoparticles were fabricated using paclitaxel as model. Transmission electron microscopy (TEM) and atomic force microscopy (AFM) had been explored to study the morphology of the hollow micelles and the nanoparticles, revealing well-dispersed spheres with the average diameters both around 80 nm. In vitro release kinetics of paclitaxel from the nanoparticles was also investigated in different conditions (pH and temperature, etc.), revealing that the drug release was triggered by temperature changes upon the lower critical solution temperature (LCST) at pH 7.4, and at $37^{\circ}C$ by an increase of pH.

Sulfated ${\beta}$-cyclodextrin (SCD)-coated zirconia monolith was used as the chiral stationary phase in capillary electrochromatography for enantiomeric separation of basic chiral compounds. SCD adsorbed on the zirconia surface provided a stable chiral stationary phase in reversed-phase eluents. Retention, chiral selectivity and resolution of a set of six basic chiral compounds were measured in eluents of varying pH, composition of methanol and buffer. Optimum mobile phase condition for the separation of the compounds was found to be methanol content of 30%, buffer concentration of 30 mM and pH of 4.0.

By using density functional theory calculations, we have performed a systemic study on the electronic structures and topological properties of interactions between N-butylpyridinium nitrate ($[BPY]^+[NO_3]^-$) and thiophene (TS), benzothiophene (BT), dibenzothiophene (DBT), naphthalene (NAP). The most stable structure of $[BPY]^+[NO_3]^-$ ion pair indicates that hydrogen bonding interactions between oxygen atoms on $[NO_3]^-$ anion and C2-H2 on pyridinium ring play a dominating role in the formation of ion pair. The occurrence of hydrogen bonding, ${\pi}{\cdots}$H-C, and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and TS, BT, DBT, NAP has been corroborated at the molecular level. But hydrogen bonding and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and NAP are weak in terms of structural properties and NBO, AIM analyses. DBT is prior to adsorption on N-butylpyridinium nitrate ionic liquid.

Tetraoxanes (1,2,4,5-tetraoxanes) have been reported to exhibit potent antimalarial activity. In the present study, the three dimensional-quantitative structure activity relationship (3D-QSAR) studies were performed on a series of tetraoxanes derivatives using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) techniques. The best predictive CoMFA model with atom fit alignment resulted in cross-validated coefficient ($q^2$) value of 0.719, non-cross-validated coefficient ($r^2$) value of 0.855 with standard error of estimate (SEE) 0.335. Similarly, the best predictive CoMSIA model was derived with $q^2$ of 0.739, $r^2$ of 0.847 and SEE of 0.344. The generated models were externally validated using test sets. The final QSAR models as well as the information gathered from 3D contour maps should be useful for the design of novel tetraoxanes having improved antimalarial activity.

The nucleophilic substitution reactions of Y-aryl ethyl isothiocyanophosphates with substituted X-anilines and deuterated X-anilines were investigated kinetically in acetonitrile at $75.0^{\circ}C$. The free energy relationships with X in the nucleophiles exhibited biphasic concave downwards with a break point at X = H. A stepwise mechanism with rate-limiting bond formation for strongly basic anilines and with rate-limiting bond breaking for weakly basic anilines is proposed based on the negative and positive ${\rho}_{XY}$ values, respectively. The deuterium kinetic isotope effects (DKIEs; $k_H/k_D$) changed gradually from primary normal with strongly basic anilines, via primary normal and secondary inverse with aniline, to secondary inverse with weakly basic anilines. The primary normal and secondary inverse DKIEs were rationalized by frontside attack involving hydrogen bonded, four-center-type TSf and backside attack involving in-line-type TSb, respectively.

Polypyrrole-Gold (PPy/Au) segment nanowires are prepared using anodized aluminum oxide (AAO) templates and assembled into a curved superstructure. Since the shape of the obtained superstructures can be designed to be capsule-like with inner space for containing materials, and their openings and closures can be controlled with external stimuli, these structures can be useful for a large variety of applications. Inner space of capsule-like superstructures is an important factor for their applications, and the volume of the inner space can be assessed using the generalized equation suggested by J. K. Lim (Bull. Korean Chem. Soc. 33, 2699 (2012)). In this paper, we introduce a new approach to obtain correct and simplified equation without redundant assumption which was used to induce the previous equations, and recalculate the volume of the inner space in the capsule-like superstructure using a new equation.

Molecularly imprinted microsphere for chloramphenicol (CAP) with high adsorption capacity and excellent selectivity is prepared by aqueous suspension polymerization, in which chloramphenicol is used as template molecule and ethyl acetate as porogen. The CAP-imprinted microspheres are used as high performance liquid chromatography (HPLC) stationary phase and packed into stainless steel column ($150mm{\times}4.6mm$ i.d.) for selective separation of chloramphenicol. HPLC analysis suggests that chloramphenicol can be distinguished from not only its structural analogs but also other broad-spectrum antibiotic such as erythromycin and tetracycline. In addition, the binding experiments of CAP-imprinted microspheres are carried out in ethanol/water (1:4, V:V), the results indicate that the maximum apparent static binding capacity of molecularly imprinted microspheres is up to 66.64 mg $g^{-1}$ according to scatchard model.

The lateral photovoltaic effect (LPE) can be observed in semiconductors by irradiating a light spot position between electrodes on sample's surface. Because lateral photovoltaic voltage (LPV) is sensitively changed by light spot position, a LPE device has been tried as a position-sensitive detector. This study discusses the correlation between LPV and conductivity in p-type silicon and nano-structured Au deposited p-type silicon (nano-Au silicon), respectively. Conductivity measurement of the sample was carried out using the four-wire method to eliminate contact resistance, and conductivity dependence on LPV was simultaneously measured by changing the light irradiation position. The result showed a strong correlation between conductivity and LPV in the p-type silicon sample. The correlation coefficient was 0.87. The correlation coefficient between LPV and conductivity for the nano-Au silicon sample was 0.41.

6,7-Dimethoxy-2-methyl-3-(4-nitrophenoxy)quinoline was synthesized by Friedl$\ddot{a}$nder's cyclization reaction. Different bases and solvents were tested in order to optimize the reaction conditions. The highest yields were obtained using piperidine in refluxing ethanol. Further reactions were carried out in order to prepare different diarylamide and diarylurea derivatives in moderate to high yields in order to examine their anticancer activities.

$TiO_2$ hollow nanoparticles (HNPs) and their light scattering effect which influences on the photoelectric conversion efficiency of a dye-sensitized solar cell (DSSC) were investigated. When only HNPs were employed in DSSC as the anode layer material, the conversion efficiency (e.g., 0.96%) was the lowest, possibly due to scattering loss of incident light. However, DSSC fabricated by using HNPs as a scattering overlayer on the $TiO_2$ nanoparticles (P-25), showed higher conversion efficiency (4.02%) than that without using HNPs (3.36%).

Most of biomaterials come in direct contact with the body, making standardized methods of evaluation and validation of biocompatibility an important aspect to biomaterial development. However, biomaterial validation guidelines have not been fully established, until now. This study was to compare the in vitro behavior of osteoblasts cultured on nanomaterial $TiO_2$ surfaces to osteoblast behavior on culture plates. Comparisons were also made to cells grown in conditioned media (CM) that creates an environment similar to the in vivo environment. Comparisons were made between the different growth conditions for osteoblast adhesion, proliferation, differentiation, and functionality. We found that the in vivo-like system of growing cells in concentrated CM provided a good validation method for biomaterial development and in vivo implant therapy. The $TiO_2$ materials were biocompatible, showing similar behavior to that observed in vivo. This study provided valuable information that would aid in the creation of guidelines into standardization and evaluation of biocompatibility in $TiO_2$ biomaterials.